#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c45 s LEU 2 N 0.00 2.78 -0.01 3.17 1.43 -1.26 -0.35 118.68 124.43 2c45 s LEU 2 Ca 0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2c45 s LEU 2 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2c45 s LEU 2 CO 0.00 -0.02 -0.01 -0.13 0.23 0.00 0.00 176.35 176.41 2c45 s ARG 3 N 1.43 2.78 -0.18 1.70 0.52 -0.38 -4.85 118.95 119.97 2c45 s ARG 3 Ca 0.05 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.48 2c45 s ARG 3 Cb -0.14 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2c45 s ARG 3 CO -0.05 0.63 0.52 -0.08 0.02 0.00 0.00 175.30 176.34 2c45 s THR 4 N -1.03 5.12 0.09 0.02 -1.32 -1.26 -0.53 115.64 116.72 2c45 s THR 4 Ca 0.18 0.97 0.02 0.00 -1.21 0.00 0.00 61.69 61.65 2c45 s THR 4 Cb -0.11 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 2c45 s THR 4 CO 0.08 0.20 -0.07 -0.04 -2.21 0.00 0.00 174.62 172.59 2c45 s MET 5 N 1.44 0.79 -0.33 7.08 1.00 0.76 -4.84 119.30 125.20 2c45 s MET 5 Ca 0.25 -1.24 -0.27 0.00 0.00 0.00 0.00 55.69 54.43 2c45 s MET 5 Cb -0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 34.83 34.37 2c45 s MET 5 CO 0.10 0.00 2.19 -1.17 0.00 0.00 0.00 175.02 176.14 2c45 s LEU 6 N -2.78 3.43 -0.16 -0.03 2.96 -1.26 -0.38 118.68 120.46 2c45 s LEU 6 Ca 0.08 1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 55.45 2c45 s LEU 6 Cb 0.02 -3.19 -0.24 0.00 0.50 0.00 0.00 46.19 43.28 2c45 s LEU 6 CO -0.03 -2.20 0.21 1.17 -1.32 0.00 0.00 176.35 174.18 2c45 n LYS 7 N 8.81 0.73 -3.66 1.98 4.81 0.08 -4.56 118.16 126.35 2c45 n LYS 7 Ca 0.30 0.24 -0.11 0.00 -0.87 0.00 0.00 58.31 57.87 2c45 n LYS 7 Cb 0.48 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.81 2c45 n LYS 7 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2c45 s SER 8 N -6.92 -0.24 -0.30 3.14 1.04 0.10 -1.37 113.70 109.16 2c45 s SER 8 Ca -0.26 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2c45 s SER 8 Cb 0.07 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.76 2c45 s SER 8 CO 0.72 -0.75 0.69 -0.75 0.98 0.00 0.00 173.24 174.13 2c45 s LYS 9 N -3.14 0.57 -0.60 4.02 2.20 -0.90 -0.34 119.74 121.56 2c45 s LYS 9 Ca -0.01 1.35 -0.19 0.00 -0.36 0.00 0.00 55.97 56.77 2c45 s LYS 9 Cb 0.01 0.71 0.11 0.00 -1.51 0.00 0.00 37.83 37.15 2c45 s LYS 9 CO -0.07 -0.18 0.69 0.42 -0.36 0.00 0.00 175.35 175.85 2c45 s ILE 10 N 2.64 4.86 -0.42 5.43 1.01 -0.81 -0.93 121.20 132.98 2c45 s ILE 10 Ca -0.06 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2c45 s ILE 10 Cb -0.10 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 37.90 2c45 s ILE 10 CO -0.19 -1.11 1.23 -2.28 0.00 0.00 0.00 174.94 172.59 2c45 s HIS 11 N 2.56 2.72 -0.58 3.97 2.46 -0.22 -2.58 115.29 123.61 2c45 s HIS 11 Ca 0.11 0.78 -0.03 0.00 0.47 0.00 0.00 55.06 56.39 2c45 s HIS 11 Cb -0.24 -4.24 0.00 0.00 -0.13 0.00 0.00 32.58 27.97 2c45 s HIS 11 CO 0.05 -1.47 0.42 0.54 -2.47 0.00 0.00 174.74 171.82 2c45 n ARG 12 N 7.72 -2.92 -1.97 2.88 1.74 -1.18 -3.34 116.66 119.60 2c45 n ARG 12 Ca 0.14 0.35 -0.32 0.00 -0.77 0.00 0.00 57.85 57.25 2c45 n ARG 12 Cb 0.48 -3.96 0.02 0.00 -1.02 0.00 0.00 32.46 27.97 2c45 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c45 s ALA 13 N -3.03 2.76 -0.20 7.54 0.00 -1.07 -4.76 121.76 123.00 2c45 s ALA 13 Ca 0.21 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 2c45 s ALA 13 Cb -0.09 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2c45 s ALA 13 CO 0.26 -0.85 0.10 0.99 0.00 0.00 0.00 175.76 176.26 2c45 s THR 14 N -2.60 5.06 -0.32 0.00 2.01 -1.26 -1.54 115.64 116.99 2c45 s THR 14 Ca 0.62 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.41 2c45 s THR 14 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2c45 s THR 14 CO 0.40 0.43 2.02 -0.69 -0.69 0.00 0.00 174.62 176.09 2c45 s VAL 15 N 0.54 3.25 0.02 3.82 1.01 -0.10 -4.70 120.40 124.24 2c45 s VAL 15 Ca 0.06 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 2c45 s VAL 15 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 2c45 s VAL 15 CO 0.00 -0.26 1.17 0.74 0.00 0.00 0.00 175.10 176.75 2c45 h THR 16 N 7.02 0.00 -3.25 3.92 2.02 -1.64 -0.49 112.91 120.50 2c45 h THR 16 Ca -0.35 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2c45 h THR 16 Cb 1.20 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2c45 h THR 16 CO 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 176.91 2c45 s ALA 18 N -2.01 -2.95 -0.11 0.00 0.00 -1.26 -3.72 121.76 111.72 2c45 s ALA 18 Ca 0.00 1.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.85 2c45 s ALA 18 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.03 2c45 s ALA 18 CO 0.00 -0.71 0.03 0.34 0.00 0.00 0.00 175.76 175.41 2c45 s ASP 19 N 1.72 1.91 0.23 0.00 2.15 -1.05 -4.98 116.67 116.65 2c45 s ASP 19 Ca -0.03 -0.29 -0.08 0.00 0.43 0.00 0.00 52.55 52.58 2c45 s ASP 19 Cb -0.02 -0.42 0.21 0.00 -0.30 0.00 0.00 42.92 42.39 2c45 s ASP 19 CO -0.14 -0.24 1.90 0.25 -0.17 0.00 0.00 175.17 176.76 2c45 h LEU 20 N 8.33 0.97-10.12 -1.34 5.85 -1.93 0.42 115.31 117.49 2c45 h LEU 20 Ca -0.17 -0.02 -0.51 0.00 0.84 0.00 0.00 57.88 58.01 2c45 h LEU 20 Cb 1.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2c45 h LEU 20 CO 0.27 0.69 -0.18 -1.00 -0.34 0.00 0.00 178.44 177.88 2c45 s HIS 21 N -6.12 3.48 0.18 1.25 3.76 -1.26 -3.35 115.29 113.23 2c45 s HIS 21 Ca -0.13 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 2c45 s HIS 21 Cb 0.16 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2c45 s HIS 21 CO 0.79 0.20 0.00 0.98 -0.85 0.00 0.00 174.74 175.86 2c45 n TYR 22 N -1.03 -3.41 -3.94 1.40 9.36 -1.26 -4.59 117.16 113.68 2c45 n TYR 22 Ca -0.03 1.97 -0.29 0.00 3.32 0.00 0.00 57.90 62.88 2c45 n TYR 22 Cb 0.54 -3.13 -0.04 0.00 -0.63 0.00 0.00 39.34 36.09 2c45 n TYR 22 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2c45 s VAL 23 N -0.76 5.32 0.00 2.97 1.01 -1.26 -3.88 120.40 123.80 2c45 s VAL 23 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2c45 s VAL 23 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2c45 s VAL 23 CO 0.00 0.03 0.25 0.61 0.00 0.00 0.00 175.10 175.99 2c45 n GLY 24 N -0.08 0.18 7.00 4.51 0.00 -1.25 -5.02 105.19 110.53 2c45 n GLY 24 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2c45 n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 25 N 0.00 0.00 -4.18 1.61 3.41 -1.22 -3.59 113.62 109.65 2c45 n SER 25 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 2c45 n SER 25 Cb 0.26 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 2c45 n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2c45 s VAL 26 N 0.00 2.53 -0.36 -3.33 1.01 -1.17 0.15 120.40 119.23 2c45 s VAL 26 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 2c45 s VAL 26 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2c45 s VAL 26 CO 0.00 0.45 0.33 0.42 0.00 0.00 0.00 175.10 176.30 2c45 s THR 27 N 1.34 5.20 0.05 3.92 -4.23 0.19 0.17 115.64 122.28 2c45 s THR 27 Ca 0.04 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2c45 s THR 27 Cb -0.14 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2c45 s THR 27 CO -0.09 -0.14 0.03 -0.63 -0.54 0.00 0.00 174.62 173.26 2c45 s ILE 28 N 1.92 4.28 0.05 2.99 1.01 0.33 -1.71 121.20 130.08 2c45 s ILE 28 Ca 0.10 -0.76 -0.35 0.00 0.00 0.00 0.00 60.65 59.64 2c45 s ILE 28 Cb -0.17 -3.00 -0.14 0.00 0.01 0.00 0.00 42.46 39.16 2c45 s ILE 28 CO 0.11 0.21 1.64 -0.67 0.00 0.00 0.00 174.94 176.24 2c45 n ASP 29 N 0.82 2.95 -0.24 3.58 -0.08 -0.73 0.25 116.55 123.11 2c45 n ASP 29 Ca -0.11 1.06 -0.04 0.00 -1.51 0.00 0.00 54.79 54.18 2c45 n ASP 29 Cb 0.52 -1.36 0.01 0.00 2.34 0.00 0.00 41.12 42.63 2c45 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c45 h ALA 30 N 6.77 -0.01 -0.88 -1.67 0.00 -1.47 0.29 119.26 122.28 2c45 h ALA 30 Ca -0.46 0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.81 2c45 h ALA 30 Cb 1.27 0.83 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 2c45 h ALA 30 CO 0.90 -0.67 0.45 -0.44 0.00 0.00 0.00 179.25 179.48 2c45 h ASP 31 N -0.13 0.50 -0.65 0.00 3.32 -1.87 -0.18 116.42 117.40 2c45 h ASP 31 Ca 0.25 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 2c45 h ASP 31 Cb 0.56 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 2c45 h ASP 31 CO -0.74 0.15 0.21 -0.07 -1.72 0.00 0.00 179.24 177.07 2c45 h LEU 32 N 0.57 0.94 -1.03 1.55 3.38 -0.81 0.17 115.31 120.08 2c45 h LEU 32 Ca 0.51 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 2c45 h LEU 32 Cb 0.82 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2c45 h LEU 32 CO -0.42 0.89 -0.03 0.24 0.09 0.00 0.00 178.44 179.22 2c45 h MET 33 N 0.94 0.66 -0.02 1.13 2.86 -0.16 0.49 114.93 120.82 2c45 h MET 33 Ca 0.21 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2c45 h MET 33 Cb 0.29 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2c45 h MET 33 CO -0.01 0.70 -0.33 -0.44 1.06 0.00 0.00 176.91 177.90 2c45 h ASP 34 N 0.62 0.32 -0.51 1.22 3.32 -1.11 1.17 116.42 121.46 2c45 h ASP 34 Ca 0.12 -0.73 0.06 0.00 0.02 0.00 0.00 57.03 56.51 2c45 h ASP 34 Cb 0.43 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2c45 h ASP 34 CO 0.02 1.00 0.21 0.00 -1.72 0.00 0.00 179.24 178.75 2c45 h ALA 35 N 0.33 0.64 -0.35 3.45 0.00 -0.37 0.48 119.26 123.43 2c45 h ALA 35 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2c45 h ALA 35 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2c45 h ALA 35 CO 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.14 2c45 n ALA 36 N -2.39 2.46 -3.11 0.00 0.00 0.17 -4.84 120.51 112.80 2c45 n ALA 36 Ca 0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 2c45 n ALA 36 Cb 0.18 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.65 2c45 n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c45 n ASP 37 N 0.74 -6.84 -3.86 0.00 2.03 0.12 -4.67 116.55 104.06 2c45 n ASP 37 Ca 0.16 0.56 -0.12 0.00 0.52 0.00 0.00 54.79 55.91 2c45 n ASP 37 Cb 0.39 -2.82 -0.13 0.00 -0.72 0.00 0.00 41.12 37.85 2c45 n ASP 37 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2c45 s LEU 38 N -1.56 1.77 -0.10 -2.67 1.43 0.36 -4.87 118.68 113.05 2c45 s LEU 38 Ca 0.09 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2c45 s LEU 38 Cb -0.01 0.27 -0.03 0.00 0.03 0.00 0.00 46.19 46.44 2c45 s LEU 38 CO 0.42 -0.09 0.04 -0.76 0.23 0.00 0.00 176.35 176.18 2c45 s LEU 39 N -0.28 3.78 -0.23 1.79 1.43 -1.26 -4.57 118.68 119.34 2c45 s LEU 39 Ca -0.03 0.22 -0.36 0.00 -1.03 0.00 0.00 54.13 52.93 2c45 s LEU 39 Cb -0.02 -1.88 -0.12 0.00 0.03 0.00 0.00 46.19 44.19 2c45 s LEU 39 CO 0.00 0.38 1.97 1.21 0.23 0.00 0.00 176.35 180.14 2c45 n GLU 40 N 2.14 1.56 -0.69 1.70 2.13 -1.26 -3.29 120.64 122.93 2c45 n GLU 40 Ca -0.19 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2c45 n GLU 40 Cb 0.54 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.76 2c45 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2c45 n GLY 41 N 5.14 -1.35 3.65 8.31 0.00 0.49 -4.99 105.19 116.43 2c45 n GLY 41 Ca 0.30 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2c45 n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 42 N -0.19 0.16 -0.07 1.61 2.12 -1.21 -4.87 118.70 116.27 2c45 s GLU 42 Ca 0.00 0.27 -0.34 0.00 0.36 0.00 0.00 54.97 55.27 2c45 s GLU 42 Cb 0.00 0.04 -0.11 0.00 0.26 0.00 0.00 34.13 34.31 2c45 s GLU 42 CO 0.00 -0.03 1.89 0.94 -0.54 0.00 0.00 175.26 177.52 2c45 n GLN 43 N 3.14 2.28 -4.79 4.30 7.27 -1.26 -2.54 117.38 125.78 2c45 n GLN 43 Ca -0.17 0.84 -0.25 0.00 0.07 0.00 0.00 57.00 57.48 2c45 n GLN 43 Cb 0.57 -2.70 -0.16 0.00 2.41 0.00 0.00 30.24 30.36 2c45 n GLN 43 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2c45 s VAL 44 N 4.07 1.36 -0.03 1.69 1.01 1.17 -4.64 120.40 125.02 2c45 s VAL 44 Ca 0.92 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 2c45 s VAL 44 Cb -0.66 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2c45 s VAL 44 CO 0.50 0.39 0.14 -0.89 0.00 0.00 0.00 175.10 175.24 2c45 s THR 45 N -0.02 5.18 -0.08 3.92 2.01 0.15 -0.37 115.64 126.43 2c45 s THR 45 Ca -0.02 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2c45 s THR 45 Cb -0.10 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2c45 s THR 45 CO 0.02 0.40 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.52 2c45 s ILE 46 N -1.21 1.65 -0.11 1.82 1.01 -0.47 -0.26 121.20 123.63 2c45 s ILE 46 Ca 0.23 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2c45 s ILE 46 Cb -0.12 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2c45 s ILE 46 CO 0.14 0.47 -0.14 0.68 0.00 0.00 0.00 174.94 176.09 2c45 s VAL 47 N 0.44 1.42 -0.53 2.92 -7.23 -0.37 -1.75 120.40 115.31 2c45 s VAL 47 Ca -0.16 -0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 2c45 s VAL 47 Cb -0.17 -1.32 0.07 0.00 0.56 0.00 0.00 36.38 35.52 2c45 s VAL 47 CO 0.06 0.43 0.67 -0.62 -0.31 0.00 0.00 175.10 175.33 2c45 s ASP 48 N 1.16 6.22 0.27 4.85 3.68 -1.02 -0.29 116.67 131.54 2c45 s ASP 48 Ca -0.03 -0.99 -0.00 0.00 2.13 0.00 0.00 52.55 53.65 2c45 s ASP 48 Cb -0.14 -2.30 0.55 0.00 -1.45 0.00 0.00 42.92 39.58 2c45 s ASP 48 CO -0.04 -0.97 1.77 0.40 0.13 0.00 0.00 175.17 176.45 2c45 h ILE 49 N 5.89 0.73 -0.27 4.11 5.03 -0.98 1.02 117.51 133.04 2c45 h ILE 49 Ca -0.28 -0.22 -0.09 0.00 -0.12 0.00 0.00 64.86 64.14 2c45 h ILE 49 Cb 1.09 0.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 2c45 h ILE 49 CO 1.01 0.12 -0.23 0.44 -0.68 0.00 0.00 178.15 178.81 2c45 h ASP 50 N 0.65 0.51 0.00 1.72 5.19 -1.93 -3.37 116.42 119.19 2c45 h ASP 50 Ca 0.48 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 2c45 h ASP 50 Cb 0.67 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2c45 h ASP 50 CO -0.36 0.74 -0.28 -0.46 -3.12 0.00 0.00 179.24 175.76 2c45 n ASN 51 N -4.13 0.59 -1.57 6.45 0.23 -0.84 -5.04 115.26 110.95 2c45 n ASN 51 Ca -0.00 -2.03 -0.19 0.00 -0.53 0.00 0.00 54.58 51.83 2c45 n ASN 51 Cb 0.40 -0.20 -0.08 0.00 -2.08 0.00 0.00 39.78 37.82 2c45 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2c45 n GLY 52 N -0.31 1.84 3.75 4.83 0.00 0.35 -4.97 105.19 110.67 2c45 n GLY 52 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2c45 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 s ALA 53 N -2.64 1.99 -0.22 4.61 0.00 -1.24 -4.78 121.76 119.48 2c45 s ALA 53 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 2c45 s ALA 53 Cb 0.00 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 19.97 2c45 s ALA 53 CO 0.00 -2.01 0.37 1.03 0.00 0.00 0.00 175.76 175.15 2c45 s ARG 54 N -4.89 0.31 0.28 0.00 0.52 -1.26 -2.42 118.95 111.49 2c45 s ARG 54 Ca 0.62 0.70 0.08 0.00 -0.52 0.00 0.00 55.73 56.61 2c45 s ARG 54 Cb -0.18 -0.20 -0.06 0.00 0.52 0.00 0.00 34.95 35.03 2c45 s ARG 54 CO 0.56 -0.48 -0.09 -0.51 0.02 0.00 0.00 175.30 174.81 2c45 s LEU 55 N 2.55 2.55 -0.13 2.53 1.43 -0.72 -4.96 118.68 121.92 2c45 s LEU 55 Ca 0.07 -1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 51.99 2c45 s LEU 55 Cb -0.14 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.38 2c45 s LEU 55 CO -0.14 -0.26 0.02 -0.69 0.23 0.00 0.00 176.35 175.50 2c45 s VAL 56 N -2.89 0.45 0.36 -1.59 1.01 -1.26 -1.37 120.40 115.11 2c45 s VAL 56 Ca 0.29 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2c45 s VAL 56 Cb 0.02 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.65 2c45 s VAL 56 CO 0.12 0.04 0.65 0.28 0.00 0.00 0.00 175.10 176.19 2c45 s THR 57 N 1.92 0.00 0.68 3.92 -1.32 0.51 -4.93 115.64 116.42 2c45 s THR 57 Ca 0.02 -1.26 -0.06 0.00 -1.21 0.00 0.00 61.69 59.19 2c45 s THR 57 Cb -0.15 -2.75 0.05 0.00 -1.51 0.00 0.00 72.50 68.15 2c45 s THR 57 CO -0.07 0.00 0.98 -0.72 -2.21 0.00 0.00 174.62 172.60 2c45 s TYR 58 N -2.69 2.93 0.03 9.09 1.13 -1.26 0.37 117.35 126.95 2c45 s TYR 58 Ca 0.22 0.40 0.09 0.00 -1.41 0.00 0.00 57.07 56.37 2c45 s TYR 58 Cb -0.03 -3.12 -0.03 0.00 -1.10 0.00 0.00 41.96 37.69 2c45 s TYR 58 CO 0.15 -1.31 -0.26 0.00 -2.51 0.00 0.00 175.55 171.62 2c45 s ALA 59 N -3.18 2.26 -0.07 9.51 0.00 -1.05 -3.05 121.76 126.19 2c45 s ALA 59 Ca 0.59 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 51.36 2c45 s ALA 59 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2c45 s ALA 59 CO 0.44 0.54 -0.22 0.42 0.00 0.00 0.00 175.76 176.93 2c45 s ILE 60 N -0.78 2.28 -0.06 0.00 1.01 0.46 -0.38 121.20 123.73 2c45 s ILE 60 Ca 0.12 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 2c45 s ILE 60 Cb -0.10 -1.85 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 2c45 s ILE 60 CO 0.02 0.57 1.46 -0.89 0.00 0.00 0.00 174.94 176.10 2c45 s THR 61 N -0.16 3.80 0.58 2.92 2.01 -1.26 0.12 115.64 123.65 2c45 s THR 61 Ca -0.03 1.06 0.09 0.00 0.31 0.00 0.00 61.69 63.12 2c45 s THR 61 Cb -0.14 -3.68 0.09 0.00 0.01 0.00 0.00 72.50 68.79 2c45 s THR 61 CO 0.04 -0.06 0.78 0.61 -0.69 0.00 0.00 174.62 175.30 2c45 n GLY 62 N 3.82 2.01 3.78 4.40 0.00 0.68 -4.78 105.19 115.10 2c45 n GLY 62 Ca 0.15 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 2c45 n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c45 s GLU 63 N -4.63 3.16 0.52 1.61 2.12 -1.26 -2.03 118.70 118.19 2c45 s GLU 63 Ca 0.59 1.49 -0.20 0.00 0.36 0.00 0.00 54.97 57.22 2c45 s GLU 63 Cb -0.05 -1.99 -0.07 0.00 0.26 0.00 0.00 34.13 32.28 2c45 s GLU 63 CO 0.38 -0.98 1.08 1.03 -0.54 0.00 0.00 175.26 176.23 2c45 s ARG 64 N -3.64 3.56 0.00 4.30 0.52 -1.26 -3.64 118.95 118.79 2c45 s ARG 64 Ca 0.70 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 2c45 s ARG 64 Cb -0.22 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.20 2c45 s ARG 64 CO 0.33 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.40 2c45 n GLY 65 N -0.08 0.25 0.03 -3.53 0.00 -1.26 -4.61 105.19 95.99 2c45 n GLY 65 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.15 2c45 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c45 n SER 66 N 0.00 0.11 -2.28 1.61 3.41 -1.24 -4.78 113.62 110.45 2c45 n SER 66 Ca 0.00 0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 59.01 2c45 n SER 66 Cb 0.00 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 2c45 n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c45 n GLY 67 N -1.27 -0.21 3.77 5.00 0.00 -1.26 -4.90 105.19 106.31 2c45 n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2c45 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c45 s VAL 68 N -2.66 2.62 -0.49 1.61 1.01 -1.26 -4.75 120.40 116.47 2c45 s VAL 68 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.58 2c45 s VAL 68 Cb 0.00 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.27 2c45 s VAL 68 CO 0.00 0.05 0.69 -0.63 0.00 0.00 0.00 175.10 175.22 2c45 s ILE 69 N -1.31 -0.97 0.01 2.22 1.01 -1.21 -1.77 121.20 119.19 2c45 s ILE 69 Ca 0.60 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2c45 s ILE 69 Cb -0.37 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2c45 s ILE 69 CO 0.46 -0.03 0.01 -0.83 0.00 0.00 0.00 174.94 174.56 2c45 s GLY 70 N 1.11 1.90 -0.39 6.18 0.00 -0.69 -1.77 107.32 113.65 2c45 s GLY 70 Ca 0.26 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 2c45 s GLY 70 CO -0.06 -0.86 0.18 -0.42 0.00 0.00 0.00 173.10 171.95 2c45 s ILE 71 N -1.14 3.49 -0.24 0.90 1.01 -1.24 -0.64 121.20 123.33 2c45 s ILE 71 Ca 0.21 -1.75 -0.15 0.00 0.00 0.00 0.00 60.65 58.96 2c45 s ILE 71 Cb -0.12 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2c45 s ILE 71 CO 0.12 -0.53 0.37 0.20 0.00 0.00 0.00 174.94 175.10 2c45 s ASN 72 N 1.81 6.31 0.35 3.58 -0.87 0.41 -2.52 114.94 124.00 2c45 s ASN 72 Ca 0.04 0.36 0.00 0.00 -1.57 0.00 0.00 52.86 51.69 2c45 s ASN 72 Cb -0.22 -2.21 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 2c45 s ASN 72 CO -0.02 -0.13 0.00 0.61 -2.57 0.00 0.00 177.10 175.00 2c45 n GLY 73 N 4.37 -3.89 5.00 0.66 0.00 0.15 -3.41 105.19 108.07 2c45 n GLY 73 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2c45 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c45 n ALA 74 N 0.09 0.00 0.31 4.61 0.00 -1.26 -3.96 120.51 120.31 2c45 n ALA 74 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2c45 n ALA 74 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 2c45 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 n ALA 75 N 0.00 1.47 0.29 0.00 0.00 -1.26 -1.15 120.51 119.86 2c45 n ALA 75 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 53.44 53.59 2c45 n ALA 75 Cb 0.00 -1.11 0.86 0.00 0.00 0.00 0.00 19.45 19.19 2c45 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c45 h ALA 76 N 2.31 1.04 -4.45 0.00 0.00 -1.77 -3.11 119.26 113.28 2c45 h ALA 76 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2c45 h ALA 76 Cb 0.08 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.91 2c45 h ALA 76 CO 0.00 0.03 0.08 0.72 0.00 0.00 0.00 179.25 180.08 2c45 n HIS 77 N -3.17 -3.28 0.00 0.00 8.25 -0.30 -4.47 115.22 112.26 2c45 n HIS 77 Ca -0.01 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 2c45 n HIS 77 Cb 0.23 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.94 2c45 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2c45 n LEU 78 N 0.00 0.00 -4.59 2.41 4.77 -1.26 -4.69 117.00 113.63 2c45 n LEU 78 Ca 0.09 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 2c45 n LEU 78 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2c45 n LEU 78 CO 0.21 0.00 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.29 2c45 s VAL 79 N 0.00 4.44 0.29 4.08 1.01 -1.18 -4.76 120.40 124.29 2c45 s VAL 79 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2c45 s VAL 79 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 2c45 s VAL 79 CO 0.00 0.49 0.02 -1.00 0.00 0.00 0.00 175.10 174.61 2c45 s HIS 80 N 0.24 1.86 0.79 5.22 3.76 -1.26 -4.51 115.29 121.38 2c45 s HIS 80 Ca 0.01 -0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 53.89 2c45 s HIS 80 Cb -0.13 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.48 2c45 s HIS 80 CO 0.01 0.04 1.17 -2.14 -0.85 0.00 0.00 174.74 172.97 2c45 s PRO 81 N -3.86 1.83 0.00 8.40 0.02 -1.26 -2.47 135.00 137.67 2c45 s PRO 81 Ca 0.33 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2c45 s PRO 81 Cb 0.07 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.78 2c45 s PRO 81 CO 0.13 -2.03 0.00 0.41 -0.33 0.00 0.00 177.00 175.18 2c45 n GLY 82 N 0.10 0.33 3.78 0.52 0.00 -0.19 -4.92 105.19 104.81 2c45 n GLY 82 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2c45 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c45 s ASP 83 N -2.13 6.58 -0.38 1.61 1.11 -1.03 -4.82 116.67 117.61 2c45 s ASP 83 Ca 0.00 0.69 -0.23 0.00 0.18 0.00 0.00 52.55 53.19 2c45 s ASP 83 Cb 0.00 -2.21 0.01 0.00 1.07 0.00 0.00 42.92 41.80 2c45 s ASP 83 CO 0.00 0.19 0.75 -0.76 1.18 0.00 0.00 175.17 176.53 2c45 s LEU 84 N -0.15 4.19 0.00 1.23 1.43 -1.26 -0.93 118.68 123.19 2c45 s LEU 84 Ca 0.20 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2c45 s LEU 84 Cb -0.14 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.13 2c45 s LEU 84 CO 0.08 -0.74 0.07 1.33 0.23 0.00 0.00 176.35 177.31 2c45 n VAL 85 N 5.82 0.00 -3.98 -1.59 0.24 -0.59 -0.27 118.33 117.96 2c45 n VAL 85 Ca 0.02 -2.41 -0.17 0.00 -2.04 0.00 0.00 64.34 59.74 2c45 n VAL 85 Cb 0.48 0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 33.10 2c45 n VAL 85 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2c45 s ILE 86 N -2.86 0.23 -0.14 1.34 1.01 0.60 -2.58 121.20 118.80 2c45 s ILE 86 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 2c45 s ILE 86 Cb -0.00 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 2c45 s ILE 86 CO 0.03 0.14 0.08 -0.76 0.00 0.00 0.00 174.94 174.43 2c45 s LEU 87 N 0.84 3.96 -0.02 2.97 1.43 -1.07 -1.24 118.68 125.55 2c45 s LEU 87 Ca -0.09 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2c45 s LEU 87 Cb -0.12 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2c45 s LEU 87 CO -0.01 0.29 -0.08 -0.63 0.23 0.00 0.00 176.35 176.15 2c45 s ILE 88 N -0.32 0.68 -0.17 -0.59 1.01 0.64 -1.92 121.20 120.53 2c45 s ILE 88 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2c45 s ILE 88 Cb -0.12 -0.61 0.04 0.00 0.01 0.00 0.00 42.46 41.78 2c45 s ILE 88 CO 0.02 0.22 -0.05 0.00 0.00 0.00 0.00 174.94 175.13 2c45 s ALA 89 N 0.26 1.47 0.67 9.38 0.00 0.54 -0.68 121.76 133.40 2c45 s ALA 89 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2c45 s ALA 89 Cb -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2c45 s ALA 89 CO 0.00 -0.82 0.00 0.66 0.00 0.00 0.00 175.76 175.60 2c45 n TYR 90 N 4.88 0.00 0.00 0.00 4.02 -1.26 -0.72 117.16 124.08 2c45 n TYR 90 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 2c45 n TYR 90 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 2c45 n TYR 90 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2c45 n ALA 91 N -3.00 0.00 -1.76 -0.72 0.00 0.49 -4.31 120.51 111.21 2c45 n ALA 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2c45 n ALA 91 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2c45 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c45 s THR 92 N 0.00 3.41 0.16 0.00 -4.23 -1.26 -0.17 115.64 113.55 2c45 s THR 92 Ca 0.00 1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 61.73 2c45 s THR 92 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2c45 s THR 92 CO 0.00 0.25 0.33 -0.04 -0.54 0.00 0.00 174.62 174.62 2c45 s MET 93 N -1.76 1.16 0.28 3.99 -1.94 0.31 -4.92 119.30 116.42 2c45 s MET 93 Ca 0.49 -1.06 -0.29 0.00 -1.71 0.00 0.00 55.69 53.11 2c45 s MET 93 Cb -0.31 0.41 -0.10 0.00 2.01 0.00 0.00 34.83 36.84 2c45 s MET 93 CO 0.40 -0.44 1.21 0.34 -0.01 0.00 0.00 175.02 176.52 2c45 s ASP 94 N -2.93 7.03 0.44 3.03 2.15 -1.26 -1.24 116.67 123.88 2c45 s ASP 94 Ca 0.13 2.43 0.07 0.00 0.43 0.00 0.00 52.55 55.61 2c45 s ASP 94 Cb 0.03 -2.63 0.36 0.00 -0.30 0.00 0.00 42.92 40.37 2c45 s ASP 94 CO -0.02 -0.35 1.07 -0.78 -0.17 0.00 0.00 175.17 174.91 2c45 h ASP 95 N 4.03 0.00 0.11 -0.34 3.58 -1.06 0.08 116.42 122.82 2c45 h ASP 95 Ca -0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2c45 h ASP 95 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2c45 h ASP 95 CO 0.69 0.00 -0.05 0.00 -2.88 0.00 0.00 179.24 176.99 2c45 h ALA 96 N 0.44 -0.19 -0.94 -0.78 0.00 -1.88 -3.21 119.26 112.71 2c45 h ALA 96 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.02 2c45 h ALA 96 Cb 1.29 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 2c45 h ALA 96 CO 0.00 -0.18 0.60 0.00 0.00 0.00 0.00 179.25 179.67 2c45 h ARG 97 N -0.81 0.74 -0.70 0.00 2.47 -1.33 -2.15 114.38 112.61 2c45 h ARG 97 Ca -0.02 -0.04 0.14 0.00 -1.26 0.00 0.00 59.98 58.80 2c45 h ARG 97 Cb 0.12 -0.17 -0.13 0.00 -1.65 0.00 0.00 29.97 28.14 2c45 h ARG 97 CO 0.03 0.49 -0.18 0.00 0.56 0.00 0.00 179.97 180.87 2c45 h ALA 98 N 1.59 0.45 0.22 0.04 0.00 -1.39 -2.99 119.26 117.19 2c45 h ALA 98 Ca 0.48 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.66 2c45 h ALA 98 Cb 0.71 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2c45 h ALA 98 CO -0.24 -0.42 -0.22 0.00 0.00 0.00 0.00 179.25 178.36 2c45 h ARG 99 N -0.00 -0.43 -4.50 0.00 3.08 -1.38 -3.39 114.38 107.76 2c45 h ARG 99 Ca 0.33 0.03 -0.72 0.00 0.07 0.00 0.00 59.98 59.69 2c45 h ARG 99 Cb 0.51 0.10 -0.21 0.00 0.08 0.00 0.00 29.97 30.45 2c45 h ARG 99 CO -0.72 -0.28 -0.37 0.95 -1.07 0.00 0.00 179.97 178.48 2c45 s THR 100 N -4.23 5.22 -0.29 2.04 -4.23 -1.13 -5.01 115.64 108.01 2c45 s THR 100 Ca -0.08 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 59.55 2c45 s THR 100 Cb 0.02 -4.00 0.11 0.00 1.34 0.00 0.00 72.50 69.97 2c45 s THR 100 CO 0.26 -0.40 0.83 -0.47 -0.54 0.00 0.00 174.62 174.30 2c45 s TYR 101 N 1.75 -0.83 -0.44 3.99 6.04 -1.25 -4.79 117.35 121.81 2c45 s TYR 101 Ca 0.06 1.65 -0.15 0.00 0.04 0.00 0.00 57.07 58.66 2c45 s TYR 101 Cb -0.20 0.50 0.05 0.00 -1.04 0.00 0.00 41.96 41.27 2c45 s TYR 101 CO 0.10 -0.41 0.35 -0.65 -1.54 0.00 0.00 175.55 173.40 2c45 s GLN 102 N 1.54 2.95 0.15 4.97 -0.21 -1.26 -5.05 119.66 122.74 2c45 s GLN 102 Ca -0.09 -1.23 -0.31 0.00 0.02 0.00 0.00 55.36 53.75 2c45 s GLN 102 Cb -0.04 -4.05 -0.09 0.00 1.00 0.00 0.00 33.01 29.83 2c45 s GLN 102 CO -0.17 -0.92 1.42 -2.14 -2.12 0.00 0.00 175.29 171.36 2c45 s PRO 103 N 1.64 4.31 -0.86 2.91 0.02 -1.26 -4.90 135.00 136.85 2c45 s PRO 103 Ca 0.04 2.15 -0.25 0.00 0.02 0.00 0.00 61.00 62.96 2c45 s PRO 103 Cb -0.22 -3.21 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 2c45 s PRO 103 CO 0.08 -0.44 1.83 1.03 -0.33 0.00 0.00 177.00 179.16 2c45 s ARG 104 N 0.79 2.76 -0.17 5.54 1.81 -0.47 -4.92 118.95 124.29 2c45 s ARG 104 Ca 0.64 -0.27 -0.12 0.00 -1.72 0.00 0.00 55.73 54.27 2c45 s ARG 104 Cb -0.39 -4.96 -0.05 0.00 -0.45 0.00 0.00 34.95 29.11 2c45 s ARG 104 CO 0.33 -3.03 0.21 0.42 -0.68 0.00 0.00 175.30 172.55 2c45 s ILE 105 N 8.92 5.36 -0.30 1.52 1.01 -1.26 -2.12 121.20 134.33 2c45 s ILE 105 Ca 0.64 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.69 2c45 s ILE 105 Cb -0.07 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.94 2c45 s ILE 105 CO 0.02 0.43 -0.03 -0.69 0.00 0.00 0.00 174.94 174.67 2c45 s VAL 106 N 0.26 2.27 0.49 2.92 1.01 -0.11 -4.98 120.40 122.26 2c45 s VAL 106 Ca 0.13 -1.94 -0.20 0.00 0.00 0.00 0.00 61.98 59.97 2c45 s VAL 106 Cb -0.12 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 2c45 s VAL 106 CO 0.02 -0.29 1.01 -0.36 0.00 0.00 0.00 175.10 175.48 2c45 s PHE 107 N 1.02 3.12 0.15 5.22 2.99 -1.26 -1.06 117.98 128.17 2c45 s PHE 107 Ca -0.00 1.57 0.01 0.00 0.00 0.00 0.00 56.93 58.51 2c45 s PHE 107 Cb -0.20 -2.98 -0.04 0.00 0.00 0.00 0.00 43.02 39.80 2c45 s PHE 107 CO -0.06 -0.63 -0.01 0.54 -0.00 0.00 0.00 175.22 175.06 2c45 s VAL 108 N -2.15 0.60 0.56 -0.44 0.11 -1.21 -4.14 120.40 113.73 2c45 s VAL 108 Ca 0.65 -1.96 -0.15 0.00 -2.93 0.00 0.00 61.98 57.59 2c45 s VAL 108 Cb -0.14 -2.01 -0.06 0.00 -1.53 0.00 0.00 36.38 32.64 2c45 s VAL 108 CO 0.21 -0.57 1.00 -0.62 -3.33 0.00 0.00 175.10 171.80 2c45 s ASP 109 N -3.13 6.43 0.00 3.54 -1.08 -1.26 -4.80 116.67 116.37 2c45 s ASP 109 Ca 0.21 1.54 0.04 0.00 -0.52 0.00 0.00 52.55 53.81 2c45 s ASP 109 Cb 0.06 -2.50 0.20 0.00 -1.46 0.00 0.00 42.92 39.23 2c45 s ASP 109 CO 0.02 -0.73 0.79 0.00 0.52 0.00 0.00 175.17 175.77 2c45 n ALA 110 N -2.01 1.53 -0.11 3.66 0.00 -1.26 0.18 120.51 122.50 2c45 n ALA 110 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2c45 n ALA 110 Cb 0.54 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2c45 n ALA 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c45 n TYR 111 N -1.11 0.00 -2.34 0.00 0.53 -1.26 -4.92 117.16 108.07 2c45 n TYR 111 Ca 0.02 -0.30 -0.00 0.00 -1.02 0.00 0.00 57.90 56.60 2c45 n TYR 111 Cb 0.02 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.30 2c45 n TYR 111 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2c45 n ASN 112 N -0.30 -6.17 0.13 7.72 3.02 0.47 -4.59 115.26 115.55 2c45 n ASN 112 Ca 0.00 0.99 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2c45 n ASN 112 Cb 0.20 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 2c45 n ASN 112 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2c45 n LYS 113 N 0.48 0.00 0.00 3.52 5.02 -1.26 -4.50 118.16 121.41 2c45 n LYS 113 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2c45 n LYS 113 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2c45 n LYS 113 CO 0.00 0.00 0.00 -3.68 -0.52 0.00 0.00 177.40 173.20